(4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate
TL;DR: (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate (CAS 7204-03-7) is a chemical compound with molecular formula C13H11NO4S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate
Also Known As: 4-((tosyloxy)imino)cyclohexa-2,5-dienone, BAS 01122022, BIM-0020363.P001, (4-oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate, J3.359.458E
| Molecular Formula | C13H11NO4S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 1.75142 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0409 |
| Heavy Atoms | 19 |
| Complexity | 663.85834 |
Chemical Identifiers
| CAS Number | 7204-03-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=O)C=C2 |
Product Overview
(4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate (CAS 7204-03-7), with molecular formula C13H11NO4S and molecular weight 277.04 g/mol. IUPAC: [(4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-methylbenzenesulfonate.
Chemical Property Profile of (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate
Property Insights of (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate
The XLogP value of 1.75142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate?
The CAS number of (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate is 7204-03-7.
What is the molecular formula of (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate?
The molecular formula of (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate is C13H11NO4S.
What is the molecular weight of (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate?
The molecular weight of (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate is 277.04 g/mol.
Where can I buy (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate?
You can request a quote for (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxocyclohexa-2,5-dien-1-ylidene)amino 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.